5-(3-methoxypropoxy)-2-propan-2-ylpyridine

C12H19NO2 — CID 58448811

IUPAC5-(3-methoxypropoxy)-2-propan-2-ylpyridine
SMILESCOCCCOc1ccc(C(C)C)nc1
InChIInChI=1S/C12H19NO2/c1-10(2)12-6-5-11(9-13-12)15-8-4-7-14-3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyWGEOSJJGGKHAGH-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.62
Rot. Bonds6

About 5-(3-methoxypropoxy)-2-propan-2-ylpyridine

5-(3-methoxypropoxy)-2-propan-2-ylpyridine (PubChem CID 58448811) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(3-methoxypropoxy)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(3-methoxypropoxy)-2-propan-2-ylpyridine
PubChem CID58448811
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-(3-methoxypropoxy)-2-propan-2-ylpyridine
SMILESCOCCCOc1ccc(C(C)C)nc1
InChIInChI=1S/C12H19NO2/c1-10(2)12-6-5-11(9-13-12)15-8-4-7-14-3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyWGEOSJJGGKHAGH-UHFFFAOYSA-N
XLogP2.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoroethoxy)-2-propan-2-ylpyridine
CID 58448814
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]ethanamine
CID 103178120
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine
CID 103178110
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
2-(chloromethyl)-5-(3-methoxypropoxy)pyridine
CID 79799760
1-[5-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]-N-methylpropan-1-amine
CID 103403032
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
(6-propan-2-yl-3-pyridinyl)oxyboronic acid
CID 165177668
5-[(2-methylpropan-2-yl)oxy]-2-propan-2-ylpyridine
CID 59278573
1-(5-propoxy-2-pyridinyl)ethanol
CID 174643637

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropoxy)-2-propan-2-ylpyridine?
The IUPAC name of 5-(3-methoxypropoxy)-2-propan-2-ylpyridine (CID 58448811) is 5-(3-methoxypropoxy)-2-propan-2-ylpyridine.
What is the SMILES notation for 5-(3-methoxypropoxy)-2-propan-2-ylpyridine?
The canonical SMILES for 5-(3-methoxypropoxy)-2-propan-2-ylpyridine is COCCCOc1ccc(C(C)C)nc1.
What is the InChIKey of 5-(3-methoxypropoxy)-2-propan-2-ylpyridine?
The InChIKey is WGEOSJJGGKHAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(2)12-6-5-11(9-13-12)15-8-4-7-14-3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 5-(3-methoxypropoxy)-2-propan-2-ylpyridine?
5-(3-methoxypropoxy)-2-propan-2-ylpyridine has a molecular weight of 209.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropoxy)-2-propan-2-ylpyridine is sourced from PubChem (CID 58448811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).